Electronic structures and optical properties for Ag-N-codoped ZnO nanotubes

نویسندگان

  • Xian-Yang Feng
  • Chang-Wen Zhang
  • Xi-Jin Xu
  • Pei-Ji Wang
چکیده

The structural and electronic/optical properties of pure and Ag-N-codoped (8,0) ZnO nanotubes have been studied using first-principles calculations in the framework of the local spin density approximation. The configurations for Zn atoms replaced by Ag atoms are p-type semiconductor materials, and the bandgap increases when N atoms are doped into ZnO nanotube configurations. The optical studies based on dielectric function and reflectivity indicate that new transition peaks in the visible light range are observed, which can be ascribed to the Ag and N doping. Furthermore, there is a red shift observed with the increase of N concentration.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Electronic Structure and Optical Property Analysis of Al/Ga-Codoped ZnO through First-Principles Calculations

Using density functional theory and the Hubbard U method, we investigated the geometric structure, electronic structure, and optical property of Al/Ga-codoped ZnO. A 3 × 3 × 3 ZnO supercell was used to construct Al- and Ga-monodoped ZnO structures and Al/Ga-codoped ZnO (AGZO) structures. All three structures showed n-type conduction, and the optical band gaps were larger than that of pure ZnO. ...

متن کامل

First–Principle Calculation of the Electronic and Optical Properties of Nanolayered ZnO Polymorphs by PBE and mBJ Density Functionals

 First principle calculations of nanolayered ZnO polymorphs (Wurzite–, Zincblende–, Rocksalt–structures) in the scheme of density functional theory were performedwith the help of full potential linear augmented plane wave (FP-LAPW) method. Theexchange - correlation potential is described by generalized gradient approximation asproposed by Perdew–Burke–Ernzrhof (GGA–PBE) and modified Becke–Johns...

متن کامل

Influence of Thickness and Number of Silver Layers in the Electrical and Optical Properties of ZnO/Ag/ZnO/Ag/ZnO ultra-Thin Films Deposited on the Glass for Low-Emissivity Applications

We report on transparent ZnO/Ag/ZnO and ZnO/Ag/ZnO/Ag/ZnO thin-films were deposited on the glass substrate by RF and DC sputtering for ZnO and Ag targets, respectively. The electrical and optical properties of the single and double Low Emissivity coatings were investigated with respect to the deposition time of Ag mid layer. The visible transmittance remains about 65% for single and 45% for...

متن کامل

Effects of Ag, Nd codoping on structural, optical and photocatalytic properties of TiO2 nanocomposite synthesized via sol-gel method using starch as a green additive

In this paper, undoped TiO2 and Ag-Nd-codoped TiO2 nanocomposites with different molar ratios of dopants were synthesized by the sol-gel method using starch as a natural additive. Structures were investigated by FT-IR and UV–Vis spectroscopy, SEM, and XRD methods. Moreover, the direct band gap was calculated by Tauc's approach. Furthermore, photocatalytic activity of all s...

متن کامل

Effects of Ag, Nd codoping on structural, optical and photocatalytic properties of TiO2 nanocomposite synthesized via sol-gel method using starch as a green additive

In this paper, undoped TiO2 and Ag-Nd-codoped TiO2 nanocomposites with different molar ratios of dopants were synthesized by the sol-gel method using starch as a natural additive. Structures were investigated by FT-IR and UV–Vis spectroscopy, SEM, and XRD methods. Moreover, the direct band gap was calculated by Tauc's approach. Furthermore, photocatalytic activity of all s...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 8  شماره 

صفحات  -

تاریخ انتشار 2013